⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4273315 | 0.87 | CA12 (0.30) | — | |
| SCHEMBL11526148 | 0.87 | TSHR (0.36) | — | |
| SCHEMBL3341563 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL9210298 | 0.84 | LMNA (0.41) | — | |
| SCHEMBL5673805 | 0.82 | — | — | |
| SCHEMBL27657984 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL78651 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL4653047 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL5985431 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL9955756 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5594006-A | SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| CN-1105799-A | Carbostyril derivatives as matrix metalloproteinases inhibitors | OTSUKA PHARMA CO LTD (JP) | 1995-07-26 | — | — | CN | disclosed |
| EP-0641323-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |
| WO-1994021612-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-29 | — | — | WO | disclosed |